P809-1158 Screening compound: 3,4-diethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide

P809-1158 Screening compound: 3,4-diethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide
P809-1158 Screening compound: 3,4-diethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide alternative view

Chemical Structure Depiction of ChemDiv screening compound P809-1158
3,4-diethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide

Available from 1 mg

Formats:

  • Glass Vials (4ml Glass Vials VWR #97047-678)
  • 96-tube racks (Matrix #4247 96-well 1.4ml sealed with capmats, empty cols 1 & 12, 100uL of 10mM)

Shiptime: 1 week worldwide delivery in most cases

Compound Identifiers

ChemDiv Compound ID

P809-1158

Molecular Formula

C25H30N4O4 (C25 H30 N4 O4)

Compound Name

3,4-diethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide

IUPAC name

34-diethoxy-N-{1-[3-(4-methoxyphenyl)-1H-pyrazol-5-yl]pyrrolidin-3-yl}benzamide

SMILES

CCOc(ccc(C(NC(CC1)CN1c1cc(-c(cc2)ccc2OC)n[nH]1)=O)c1)c1OCC

InChI

InChI=1S/C25H30N4O4/c1-4-32-22-11-8-18(14-23(22)33-5-2)25(30)26-19-12-13-29(16-19)24-15-21(27-28-24)17-6-9-20(31-3)10-7-17/h6-11,14-15,19H,4-5,12-13,16H2,1-3H3,(H,26,30)(H,27,28)/t19-/m0/s1

InChI Key

SUMOSODNDRVRIU-IBGZPJMESA-N

MDL Number (MFCD)

MFCD28997742

Chemical and Physical Properties

Saltdata

n/a

Molecular Weight

450.54

Hydrogen Bond Acceptors Count

6.00

Hydrogen Bond Donors Count

2.00

Rotatable Bond Count

10.00

Number of Nitrogen and Oxygen Atoms

8

Partition Coefficient, logP

3.680

Distribution Coefficient, logD

3.680

Water Solubility, LogSw

-3.93

Polar Surface Area

71.854

Acid Dissociation Constant (pKa)

14.86

Base Dissociation Constant (pKb)

0.14

Number of Chiral Centers

1.00

Percent sp3 carbon bonding

36.00

P809-1158 in Drug Discovery

Included in Screening Libraries

Antiviral Library (67538 compounds)

300k Representative Compounds Library (Bemis-Murcko Clustering Algorithm) (286253 compounds)

PPI Helix Turn 3D-Mimetics Library (71298 compounds)

Protein-Protein Interaction Library (218420 compounds)

Inhibitors of beta-Catenin Signaling (7445 compounds)

MEF2-HDAC (class II) Modulators Library (5147 compounds)

SH2 PTB Focused Library (6188 compounds)

Included in 1.7M Stock Database

Therapeutical areas:
  • Antiviral
  • Infections
  • Immune system
  • Cancer
  • Musculoskeletal
  • Female
  • Hemic and lymphatic
  • Cardiovascular
Mechanism of action:
  • PPI modulators
  • PPI modulators
  • PPI modulators
  • Epigenetic
Structure:
  • Mimetics

References: we are preparing a list of scientific research reports with P809-1158 chemical compound. It will be published here after verification.

Frequently Asked Questions

How to purchase chemical compound P809-1158?
Check Price and Availability of P809-1158, then you can add required amount to the Shopping Cart. In the Shopping Cart you can again refine your selection. Once you are sure that it’s exactly what you want you can move forward with the Checkout (to pay online by credit card, or via PayPal), or Request a Quote.
What is the minimum amount of P809-1158 you sell to drug discovery company or institution?
Available from 1 mg in Glass Vials or 96-tube racks.
Delivery options for P809-1158
ChemDiv sends parcels with Express services (UPS, WC).
  • 1–2 days for small orders
  • 2–4 weeks for large selections
Delivery formats for P809-1158
  • 0.5–50 mg of dry powder sample in single glass vials, custom vials
  • DMSO solutions frozen 10μl–250μl@10mM (96 and 384 format)

Custom synthesis of P809-1158 available by request